Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.38 |
| ▸ | PTGER2 | P43116 | 9/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.32 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.32 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.32 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.32 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | NAMPT | P43490 | 1/20 | 0.31 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3650557 | 0.93 | GPBAR1 (0.35) | GPBAR1RXFP1SLC40A1NAMPT | |
| SCHEMBL3645990 | 0.88 | PTGER2 (0.35) | GPBAR1PTGER2LMNATP53MAPT | |
| SCHEMBL3799201 | 0.87 | PTGER2 (0.35) | PTGER2LMNATP53MAPTABCC9 | |
| SCHEMBL4130745 | 0.87 | GPBAR1 (0.40) | GPBAR1PTGER2LMNATP53MAPT | |
| SCHEMBL3803078 | 0.83 | ALDH1A1 (0.36) | LMNAMAPTNAMPT | |
| SCHEMBL3648432 | 0.82 | GPBAR1 (0.39) | GPBAR1PTGER2RXFP1ABCC9ABCC8 | |
| SCHEMBL3654953 | 0.81 | GPBAR1 (0.33) | GPBAR1 | |
| SCHEMBL3654310 | 0.81 | GPBAR1 (0.34) | GPBAR1PTGER2NAMPT | |
| SCHEMBL3651632 | 0.80 | — | — | |
| SCHEMBL3652839 | 0.80 | CTSK (0.32) | NAMPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2190822-A2 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2010-06-02 | — | — | EP | disclosed |
| WO-2009041705-A9 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | TAKEDA PHARMACEUTICAL (JP) | 2009-08-13 | — | — | WO | disclosed |
| WO-2009041705-A2 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-04-02 | — | — | WO | disclosed |